6LJ2
Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Metallo-beta-lactamase type 2 | polymer | 242 | 25631.8 | 1 | UniProt (C7C422) Pfam (PF00753) | Klebsiella pneumoniae | B2 metallo-beta-lactamase,Beta-lactamase type II,Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase type II,New Delhi metallo-beta-lactamase-1,NDM-1 |
| 2 | B, C (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | HYDROXIDE ION | non-polymer | 17.0 | 1 | Chemie (OH) | |||
| 4 | E (A) | (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | non-polymer | 279.4 | 1 | Chemie (EEX) | |||
| 5 | F (A) | (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | non-polymer | 279.4 | 1 | Chemie (EKX) | |||
| 6 | G (A) | water | water | 18.0 | 280 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25631.8 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 706.5 | |
| All* | Total formula weight | 26338.4 |
